1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(1,3-dimethyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonyl-piperazine Formula: C16H20ClFN4O2S MolecularWeight: 386.872003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C16H20ClFN4O2S/c1-12-16(11-20(2)19-12)25(23,24)22-7-5-21(6-8-22)10-13-3-4-15(18)14(17)9-13/h3-4,9,11H,5-8,10H2,1-2H3